Molecule ID: mol18770

SMILES: Cc1cnc(NCC2(c3ccc(F)cc3)CC2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2c1

InChI: InChI=1S/C25H25FN6O3/c1-15-11-29-23(30-14-25(8-9-25)17-3-5-18(26)6-4-17)24(34)32(15)13-21(33)28-12-16-2-7-19-20(10-16)35-31-22(19)27/h2-7,10-11H,8-9,12-14H2,1H3,(H2,27,31)(H,28,33)(H,29,30)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.60 OCHEM 0 » -1
8.60 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization